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Isophthalic acid, monoamide, N-(3-methylphenyl)-, butyl ester

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Isophthalic acid, monoamide, N-(3-methylphenyl)-, butyl ester
SpectraBase Compound ID CfAhqCKazGK
InChI InChI=1S/C19H21NO3/c1-3-4-11-23-19(22)16-9-6-8-15(13-16)18(21)20-17-10-5-7-14(2)12-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,21)
InChIKey SLFOTELQRXSPKH-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqXIWiOLl8x
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-3-4-11-23-19(22)16-9-6-8-15(13-16)18(21)20-17-10-5-7-14(2)12-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,21)
InChIKey SLFOTELQRXSPKH-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C1=CC(=CC(=C1)NC(C1=CC(=CC=C1)C(OCCCC)=O)=O)C